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

Systemtic Name: 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H14N4S2 MolecularWeight: 374.48196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C20H14N4S2/c21-13-15-6-4-7-16(12-15)14-26-20-23-22-19(18-10-5-11-25-18)24(20)17-8-2-1-3-9-17/h1-12H,14H2