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

Systemtic Name: N-cyclopropyl-3-[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

InChI

InChI=1S/C27H25N5O3S/c1-35-23-14-10-18(11-15-23)25-30-31-27(32(25)22-8-3-2-4-9-22)36-17-24(33)28-21-7-5-6-19(16-21)26(34)29-20-12-13-20/h2-11,14-16,20H,12-13,17H2,1H3,(H,28,33)(H,29,34)