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

Systemtic Name: N-[(3-propyl-1,2,3-triazol-4-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[(3-propyltriazol-4-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-(2-mercaptophenyl)-N-[(3-propyl-4-triazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[(3-propyltriazol-4-yl)methyl]-N-(2-sulfanylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-(2-mercaptophenyl)-N-[(3-propyltriazol-4-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CN=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

Isomeric SMILES

CCCN1C(=CN=N1)CN(C2=CC=CC=C2S)C(=O)C3=CC4=CC=CC=C4NCC3

InChI

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