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

Systemtic Name: N-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylthio]phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[4-[(4-ethyl-1,2,4-triazol-3-yl)methylthio]phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C25H29N5OS MolecularWeight: 447.59566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)SCC4=NN=CN4CC

Isomeric SMILES

CCCN1CCC(=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)SCC4=NN=CN4CC

InChI

InChI=1S/C25H29N5OS/c1-3-14-30-15-13-20(16-19-7-5-6-8-23(19)30)25(31)27-21-9-11-22(12-10-21)32-17-24-28-26-18-29(24)4-2/h5-12,16,18H,3-4,13-15,17H2,1-2H3,(H,27,31)