N-[(1-methyl-1,2,3,4-tetrazol-5-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(1-methyl-1,2,3,4-tetrazol-5-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(1-methyltetrazol-5-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[(1-methyl-5-tetrazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(1-methyltetrazol-5-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-(2-mercaptophenyl)-N-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CN1C(=NN=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C20H20N6OS/c1-25-19(22-23-24-25)13-26(17-8-4-5-9-18(17)28)20(27)15-10-11-21-16-7-3-2-6-14(16)12-15/h2-9,12,21,28H,10-11,13H2,1H3