N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H20N6O2S/c1-14(20(29)25-21(30)24-17-11-7-15(13-23)8-12-17)31-22-27-26-19(16-9-10-16)28(22)18-5-3-2-4-6-18/h2-8,11-12,14,16H,9-10H2,1H3,(H2,24,25,29,30)