3-methyl-4-propyl-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 3-methyl-4-propyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-methyl-4-propyl-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 3-methyl-4-propyl-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 3-methyl-4-propyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 3-methyl-5-(propargylthio)-4-propyl-1,2,4-triazole Formula: C9H13N3S MolecularWeight: 195.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC#C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC#C)C

InChI

InChI=1S/C9H13N3S/c1-4-6-12-8(3)10-11-9(12)13-7-5-2/h2H,4,6-7H2,1,3H3