1-(4-ethylphenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylphenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=C(C=CC(=C3)C)OC)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=C(C=CC(=C3)C)OC)C4=CC=CS4

InChI

InChI=1S/C25H25N3O2S2/c1-5-18-9-11-19(12-10-18)23(29)17(3)32-25-27-26-24(22-7-6-14-31-22)28(25)20-15-16(2)8-13-21(20)30-4/h6-15,17H,5H2,1-4H3