N-[(2-hexan-3-yl-1H-imidazol-5-yl)methyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(2-hexan-3-yl-1H-imidazol-5-yl)methyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[[2-(1-ethylbutyl)-1H-imidazol-5-yl]methyl]-N-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[(2-hexan-3-yl-1H-imidazol-5-yl)methyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(2-hexan-3-yl-1H-imidazol-5-yl)methyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[[2-(1-ethylbutyl)-1H-imidazol-5-yl]methyl]-N-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C23H29N7OS MolecularWeight: 451.58766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1=NC=C(N1)CN(C2=NC(=S)NN2)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CCCC(CC)C1=NC=C(N1)CN(C2=NC(=S)NN2)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C23H29N7OS/c1-3-7-15(4-2)20-25-13-18(26-20)14-30(22-27-23(32)29-28-22)21(31)17-10-11-24-19-9-6-5-8-16(19)12-17/h5-6,8-9,12-13,15,24H,3-4,7,10-11,14H2,1-2H3,(H,25,26)(H2,27,28,29,32)