N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methoxy-benzamide CAS Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methoxybenzamide Traditional Name: N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-4-methoxy-benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-28-17-11-9-15(10-12-17)20(27)22-18(26)13-29-21-23-19(14-7-8-14)25(24-21)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,26,27)