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

Systemtic Name: 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C14H10N4S2 MolecularWeight: 298.386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H10N4S2/c15-8-10-3-5-11(6-4-10)9-20-14-16-13(17-18-14)12-2-1-7-19-12/h1-7H,9H2,(H,16,17,18)