4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C19H18ClN3OS MolecularWeight: 371.88372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCCCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCCCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClN3OS/c1-14-9-10-16(12-17(14)20)23-13-21-22-19(23)25-11-5-8-18(24)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3