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

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H21N7O3S MolecularWeight: 463.51224

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N7O3S/c23-14-16-6-4-5-9-18(16)24-20(31)25-19(30)15-33-22-27-26-21(28-10-12-32-13-11-28)29(22)17-7-2-1-3-8-17/h1-9H,10-13,15H2,(H2,24,25,30,31)