4-[[4-cyclopropyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-yn-1-ol

Systemtic Name: 4-[[4-cyclopropyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-yn-1-ol Openeye Name: 4-[[4-cyclopropyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-yn-1-ol CAS Name: 4-[[4-cyclopropyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butyn-1-ol IUPAC Name: 4-[[4-cyclopropyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-yn-1-ol Traditional Name: 4-[[4-cyclopropyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]but-2-yn-1-ol Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3CC3)SCC#CCO

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3CC3)SCC#CCO

InChI

InChI=1S/C16H17N3OS/c1-12-4-6-13(7-5-12)15-17-18-16(19(15)14-8-9-14)21-11-3-2-10-20/h4-7,14,20H,8-11H2,1H3