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

Systemtic Name: 1-(2,4-dimethoxyphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(2,4-dimethoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(2,4-dimethoxyphenyl)-4-[(1-phenyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(2,4-dimethoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(2,4-dimethoxyphenyl)-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C19H20N4O3S/c1-25-15-10-11-16(18(13-15)26-2)17(24)9-6-12-27-19-20-21-22-23(19)14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3