N-[2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H18N4O3S2/c1-29-17-11-6-5-10-16(17)26-20(18-12-7-13-30-18)24-25-22(26)31-14-19(27)23-21(28)15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,27,28)