2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(5-methyl-2-thienyl)ethanone Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NNC(=N2)C3CC3

InChI

InChI=1S/C12H13N3OS2/c1-7-2-5-10(18-7)9(16)6-17-12-13-11(14-15-12)8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,13,14,15)