1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3OS/c1-13-9-10-17(11-14(13)2)22-18(16-7-5-4-6-8-16)20-21-19(22)24-12-15(3)23/h4-11H,12H2,1-3H3