N-(3-cyanothiophen-2-yl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-2-thienyl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-2-thienyl)propionamide Formula: C23H19N5OS2 MolecularWeight: 445.55986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N5OS2/c1-16(21(29)25-22-18(15-24)12-13-30-22)31-23-27-26-20(14-17-8-4-2-5-9-17)28(23)19-10-6-3-7-11-19/h2-13,16H,14H2,1H3,(H,25,29)