4-butyl-3-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(4,6-diphenyl-2-pyrimidinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazole-5-thione Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5S/c1-2-3-14-27-21(25-26-22(27)28)20-23-18(16-10-6-4-7-11-16)15-19(24-20)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,26,28)