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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

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