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

Systemtic Name: 2-[4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C22H18N4S2 MolecularWeight: 402.53512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC4=CC=CS4

InChI

InChI=1S/C22H18N4S2/c1-26-21(13-19-6-4-12-27-19)24-25-22(26)28-15-16-8-10-17(11-9-16)20-7-3-2-5-18(20)14-23/h2-12H,13,15H2,1H3