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

Systemtic Name: 5-propan-2-yl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole CAS Name: 5-propan-2-yl-3-(prop-2-ynylthio)-1H-1,2,4-triazole IUPAC Name: 5-propan-2-yl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-(propargylthio)-1H-1,2,4-triazole Formula: C8H11N3S MolecularWeight: 181.25804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3S/c1-4-5-12-8-9-7(6(2)3)10-11-8/h1,6H,5H2,2-3H3,(H,9,10,11)