5-(4-pentylphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-pentylphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-pentylphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-pentylphenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-pentylphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-amylphenyl)-3-(propargylthio)-1H-1,2,4-triazole Formula: C16H19N3S MolecularWeight: 285.40716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC#C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC#C

InChI

InChI=1S/C16H19N3S/c1-3-5-6-7-13-8-10-14(11-9-13)15-17-16(19-18-15)20-12-4-2/h2,8-11H,3,5-7,12H2,1H3,(H,17,18,19)