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

Systemtic Name: N-phenyl-N-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-phenyl-N-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-phenyl-N-[(4-propyl-1,2,4-triazol-3-yl)methylthio]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-phenyl-N-[(4-propyl-1,2,4-triazol-3-yl)methylsulfanyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-phenyl-N-[(4-propyl-1,2,4-triazol-3-yl)methylthio]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NN=C1CSN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CCCN1C=NN=C1CSN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

InChI=1S/C23H25N5OS/c1-2-14-27-17-25-26-22(27)16-30-28(20-9-4-3-5-10-20)23(29)19-12-13-24-21-11-7-6-8-18(21)15-19/h3-11,15,17,24H,2,12-14,16H2,1H3