N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H20N6O3S/c1-14(18(28)24-19(29)23-17-9-7-16(13-22)8-10-17)31-21-26-25-20(30)27(21)12-11-15-5-3-2-4-6-15/h2-10,14H,11-12H2,1H3,(H,25,30)(H2,23,24,28,29)