N-(3-ethynylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethynylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-ethynylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-ethynylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-ethynylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-ethynylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H18N4O2S/c1-4-15-6-5-7-16(12-15)21-19(25)13-27-20-23-22-14(2)24(20)17-8-10-18(26-3)11-9-17/h1,5-12H,13H2,2-3H3,(H,21,25)