4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCCCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c1-22-14-6-2-5-13(11-14)20-12-18-19-17(20)24-10-3-7-15(21)16-8-4-9-23-16/h2,4-6,8-9,11-12H,3,7,10H2,1H3