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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-[(1-phenyltetrazol-5-yl)thio]propan-1-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4OS/c1-12-9-10-15(11-13(12)2)17(23)14(3)24-18-19-20-21-22(18)16-7-5-4-6-8-16/h4-11,14H,1-3H3