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

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-cyanophenyl)carbamoyl]propanamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-cyanophenyl)carbamoyl]propionamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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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(N2CC=C)C3CC3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C19H20N6O2S/c1-3-10-25-16(14-6-7-14)23-24-19(25)28-12(2)17(26)22-18(27)21-15-8-4-13(11-20)5-9-15/h3-5,8-9,12,14H,1,6-7,10H2,2H3,(H2,21,22,26,27)