2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C14H11N5S MolecularWeight: 281.33564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC#N

InChI

InChI=1S/C14H11N5S/c15-8-11-20-14-17-16-13(12-6-2-1-3-7-12)19(14)18-9-4-5-10-18/h1-7,9-10H,11H2