N-(3-cyanothiophen-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C22H15N5OS2 MolecularWeight: 429.5174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H15N5OS2/c23-13-17-11-12-29-21(17)24-18(28)14-30-22-25-19(15-7-3-1-4-8-15)20(26-27-22)16-9-5-2-6-10-16/h1-12H,14H2,(H,24,28)