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

Systemtic Name: 2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C15H12N4S2 MolecularWeight: 312.41258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC(=N2)CC3=CC=CS3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=N2)CC3=CC=CS3)C#N

InChI

InChI=1S/C15H12N4S2/c16-9-11-4-1-2-5-12(11)10-21-15-17-14(18-19-15)8-13-6-3-7-20-13/h1-7H,8,10H2,(H,17,18,19)