4-(5,6-diphenyl-1,2,4-triazin-3-yl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(5,6-diphenyl-1,2,4-triazin-3-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(5,6-diphenyl-1,2,4-triazin-3-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(5,6-diphenyl-1,2,4-triazin-3-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(5,6-diphenyl-1,2,4-triazin-3-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(5,6-diphenyl-1,2,4-triazin-3-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C26H24N6S MolecularWeight: 452.57396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C26H24N6S/c33-26(27-22-14-8-3-9-15-22)32-18-16-31(17-19-32)25-28-23(20-10-4-1-5-11-20)24(29-30-25)21-12-6-2-7-13-21/h1-15H,16-19H2,(H,27,33)