4-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C20H15N5S MolecularWeight: 357.4316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5S/c21-14-16-8-10-17(11-9-16)15-26-20-23-22-19(18-6-2-1-3-7-18)25(20)24-12-4-5-13-24/h1-13H,15H2