2-(4-methylphenyl)-1-prop-2-ynylsulfanyl-1-(1,2,4-triazol-4-yl)ethanethiol

Systemtic Name: 2-(4-methylphenyl)-1-prop-2-ynylsulfanyl-1-(1,2,4-triazol-4-yl)ethanethiol Openeye Name: 1-prop-2-ynylsulfanyl-2-(p-tolyl)-1-(1,2,4-triazol-4-yl)ethanethiol CAS Name: 2-(4-methylphenyl)-1-(prop-2-ynylthio)-1-(1,2,4-triazol-4-yl)ethanethiol IUPAC Name: 2-(4-methylphenyl)-1-prop-2-ynylsulfanyl-1-(1,2,4-triazol-4-yl)ethanethiol Traditional Name: 1-(propargylthio)-2-(p-tolyl)-1-(1,2,4-triazol-4-yl)ethanethiol Formula: C14H15N3S2 MolecularWeight: 289.419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(N2C=NN=C2)(S)SCC#C

Isomeric SMILES

CC1=CC=C(C=C1)CC(N2C=NN=C2)(S)SCC#C

InChI

InChI=1S/C14H15N3S2/c1-3-8-19-14(18,17-10-15-16-11-17)9-13-6-4-12(2)5-7-13/h1,4-7,10-11,18H,8-9H2,2H3