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

Systemtic Name: N-(3-cyanophenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-cyanophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-14(18(26)22-17-9-5-8-16(12-17)13-21)28-20-24-23-19(27)25(20)11-10-15-6-3-2-4-7-15/h2-9,12,14H,10-11H2,1H3,(H,22,26)(H,23,27)