1-propyl-N-[4-[2-(1,2,4-triazol-4-yl)ethylsulfanyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 1-propyl-N-[4-[2-(1,2,4-triazol-4-yl)ethylsulfanyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 1-propyl-N-[4-[2-(1,2,4-triazol-4-yl)ethylsulfanyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 1-propyl-N-[4-[2-(1,2,4-triazol-4-yl)ethylthio]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 1-propyl-N-[4-[2-(1,2,4-triazol-4-yl)ethylsulfanyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-propyl-N-[4-[2-(1,2,4-triazol-4-yl)ethylthio]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)SCCN4C=NN=C4

Isomeric SMILES

CCCN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)SCCN4C=NN=C4

InChI

InChI=1S/C24H27N5OS/c1-2-12-29-13-11-20(16-19-5-3-4-6-23(19)29)24(30)27-21-7-9-22(10-8-21)31-15-14-28-17-25-26-18-28/h3-10,16-18H,2,11-15H2,1H3,(H,27,30)