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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(3,4-dimethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(3,4-dimethoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(3,4-dimethoxyphenyl)-4-[(1-methyltetrazol-5-yl)thio]butan-1-one Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H18N4O3S/c1-18-14(15-16-17-18)22-8-4-5-11(19)10-6-7-12(20-2)13(9-10)21-3/h6-7,9H,4-5,8H2,1-3H3