4-cyclopropyl-3-[2-oxidanyl-2-(4-propylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[2-oxidanyl-2-(4-propylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-hydroxy-2-(4-propylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-hydroxy-2-(4-propylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-hydroxy-2-(4-propylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-hydroxy-2-(4-propylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CSC2=NNC(=O)N2C3CC3)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CSC2=NNC(=O)N2C3CC3)O

InChI

InChI=1S/C16H21N3O2S/c1-2-3-11-4-6-12(7-5-11)14(20)10-22-16-18-17-15(21)19(16)13-8-9-13/h4-7,13-14,20H,2-3,8-10H2,1H3,(H,17,21)