5-butan-2-yl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-butan-2-yl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-prop-2-ynylsulfanyl-5-sec-butyl-1H-1,2,4-triazole CAS Name: 5-butan-2-yl-3-(prop-2-ynylthio)-1H-1,2,4-triazole IUPAC Name: 5-butan-2-yl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(propargylthio)-5-sec-butyl-1H-1,2,4-triazole Formula: C9H13N3S MolecularWeight: 195.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC(=NN1)SCC#C

Isomeric SMILES

CCC(C)C1=NC(=NN1)SCC#C

InChI

InChI=1S/C9H13N3S/c1-4-6-13-9-10-8(11-12-9)7(3)5-2/h1,7H,5-6H2,2-3H3,(H,10,11,12)