4-[3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ylamino]benzamide

Systemtic Name: 4-[3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ylamino]benzamide Openeye Name: 4-[1-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]vinylamino]benzamide CAS Name: 4-[3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]prop-1-en-2-ylamino]benzamide IUPAC Name: 4-[3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ylamino]benzamide Traditional Name: 4-[1-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]vinylamino]benzamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=C)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=C)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C27H27N5O2S/c1-19(29-22-14-12-21(13-15-22)25(28)33)18-35-27-31-30-26(23-10-6-7-11-24(23)34-2)32(27)17-16-20-8-4-3-5-9-20/h3-15,29H,1,16-18H2,2H3,(H2,28,33)