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

Systemtic Name: 4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide Openeye Name: 4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide CAS Name: 4-[[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]-N-(2-methoxyphenyl)benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NN=CN3C4CC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NN=CN3C4CC4

InChI

InChI=1S/C22H23N5O3S/c1-30-19-5-3-2-4-18(19)25-21(29)15-6-8-16(9-7-15)24-20(28)12-13-31-22-26-23-14-27(22)17-10-11-17/h2-9,14,17H,10-13H2,1H3,(H,24,28)(H,25,29)