N-[(4-propyl-1,5-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-pyridazin-3-yl-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(4-propyl-1,5-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-pyridazin-3-yl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(4-propyl-1,5-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-pyridazin-3-yl-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[(4-propyl-1,5-dihydro-1,2,4-triazol-3-yl)methylthio]-N-(3-pyridazinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(4-propyl-1,5-dihydro-1,2,4-triazol-3-yl)methylsulfanyl]-N-pyridazin-3-yl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[(4-propyl-1,5-dihydro-1,2,4-triazol-3-yl)methylthio]-N-pyridazin-3-yl-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CNN=C1CSN(C2=NN=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CCCN1CNN=C1CSN(C2=NN=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C21H25N7OS/c1-2-12-27-15-24-26-20(27)14-30-28(19-8-5-10-23-25-19)21(29)17-9-11-22-18-7-4-3-6-16(18)13-17/h3-8,10,13,22,24H,2,9,11-12,14-15H2,1H3