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

Systemtic Name: 2-[4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazol-2-yl]acetonitrile CAS Name: 2-[4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazol-2-yl]acetonitrile Formula: C14H11N5S2 MolecularWeight: 313.40064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=CSC(=N3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=CSC(=N3)CC#N

InChI

InChI=1S/C14H11N5S2/c15-7-6-13-17-11(8-20-13)9-21-14-18-16-10-19(14)12-4-2-1-3-5-12/h1-5,8,10H,6,9H2