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

Systemtic Name: 3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H20N4S2 MolecularWeight: 416.5617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC(=C3)C#N)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC(=C3)C#N)CC4=CC=CS4

InChI

InChI=1S/C23H20N4S2/c24-16-19-8-4-9-20(14-19)17-29-23-26-25-22(15-21-10-5-13-28-21)27(23)12-11-18-6-2-1-3-7-18/h1-10,13-14H,11-12,15,17H2