2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=CS4

InChI

InChI=1S/C20H18N4O2S2/c1-13-7-8-17(26-2)15(11-13)24-19(18-6-4-10-27-18)22-23-20(24)28-12-16(25)14-5-3-9-21-14/h3-11,21H,12H2,1-2H3