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

Systemtic Name: 4-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4CC4

InChI

InChI=1S/C21H21N5O3S/c1-29-17-10-8-16(9-11-17)23-20(28)14-4-6-15(7-5-14)22-18(27)12-30-21-24-19(25-26-21)13-2-3-13/h4-11,13H,2-3,12H2,1H3,(H,22,27)(H,23,28)(H,24,25,26)