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

Systemtic Name: 4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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=C(C=C3)C#N)CC4=CC=CS4

Isomeric SMILES

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

InChI

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