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

Systemtic Name: 4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-methyl-benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-22-20(28)15-9-11-16(12-10-15)23-18(27)13-29-21-24-19(14-7-8-14)26(25-21)17-5-3-2-4-6-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,22,28)(H,23,27)