5,5-dimethyl-2-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5,5-dimethyl-2-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Openeye Name: 5,5-dimethyl-2-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole CAS Name: 5,5-dimethyl-2-phenyl-3-(prop-2-ynylthio)-1H-1,2,4-triazole IUPAC Name: 5,5-dimethyl-2-phenyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Traditional Name: 5,5-dimethyl-2-phenyl-3-(propargylthio)-1H-1,2,4-triazole Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NN(C(=N1)SCC#C)C2=CC=CC=C2)C

Isomeric SMILES

CC1(NN(C(=N1)SCC#C)C2=CC=CC=C2)C

InChI

InChI=1S/C13H15N3S/c1-4-10-17-12-14-13(2,3)15-16(12)11-8-6-5-7-9-11/h1,5-9,15H,10H2,2-3H3