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

Systemtic Name: 2-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-phenethyl-benzamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O3S/c1-34-21-11-7-10-20(16-21)31-18-28-30-26(31)35-17-24(32)29-23-13-6-5-12-22(23)25(33)27-15-14-19-8-3-2-4-9-19/h2-13,16,18H,14-15,17H2,1H3,(H,27,33)(H,29,32)