2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiazol-2-yl]acetonitrile CAS Name: 2-[4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-[[(1-phenyltetrazol-5-yl)thio]methyl]thiazol-2-yl]acetonitrile Formula: C13H10N6S2 MolecularWeight: 314.3887

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CSC(=N3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CSC(=N3)CC#N

InChI

InChI=1S/C13H10N6S2/c14-7-6-12-15-10(8-20-12)9-21-13-16-17-18-19(13)11-4-2-1-3-5-11/h1-5,8H,6,9H2