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

Systemtic Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one CAS Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C7H11N3OS MolecularWeight: 185.24674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=CN1C

Isomeric SMILES

CC(C(=O)C)SC1=NN=CN1C

InChI

InChI=1S/C7H11N3OS/c1-5(11)6(2)12-7-9-8-4-10(7)3/h4,6H,1-3H3