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

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)NC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)NC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N6O3S/c21-12-15-6-8-16(9-7-15)22-18(28)23-17(27)13-30-20-25-24-19(29)26(20)11-10-14-4-2-1-3-5-14/h1-9H,10-11,13H2,(H,24,29)(H2,22,23,27,28)