6-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 6-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpyridine-3-carbonitrile CAS Name: 6-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]nicotinonitrile Formula: C15H12N6S MolecularWeight: 308.36098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C15H12N6S/c1-10-3-5-13(7-11(10)2)21-15(18-19-20-21)22-14-6-4-12(8-16)9-17-14/h3-7,9H,1-2H3