5-butan-2-yl-3-methylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-butan-2-yl-3-methylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-methylsulfanyl-5-sec-butyl-1H-1,2,4-triazole CAS Name: 5-butan-2-yl-3-(methylthio)-1H-1,2,4-triazole IUPAC Name: 5-butan-2-yl-3-methylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(methylthio)-5-sec-butyl-1H-1,2,4-triazole Formula: C7H13N3S MolecularWeight: 171.26322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC(=NN1)SC

Isomeric SMILES

CCC(C)C1=NC(=NN1)SC

InChI

InChI=1S/C7H13N3S/c1-4-5(2)6-8-7(11-3)10-9-6/h5H,4H2,1-3H3,(H,8,9,10)