2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]amino]thiophene-3-carboxamide Formula: C22H17N5O2S2 MolecularWeight: 447.53268

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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(=O)N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O2S2/c23-20(29)16-11-12-30-21(16)24-17(28)13-31-22-25-18(14-7-3-1-4-8-14)19(26-27-22)15-9-5-2-6-10-15/h1-12H,13H2,(H2,23,29)(H,24,28)