4-(1,3-benzodioxol-5-yl)-6-phenyl-1H-pyrimidine-2-thione

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-1H-pyrimidine-2-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-1H-pyrimidine-2-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-1H-pyrimidine-2-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-1H-pyrimidine-2-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-phenyl-1H-pyrimidine-2-thione Formula: C17H12N2O2S MolecularWeight: 308.35438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=S)NC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=S)NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C17H12N2O2S/c22-17-18-13(11-4-2-1-3-5-11)9-14(19-17)12-6-7-15-16(8-12)21-10-20-15/h1-9H,10H2,(H,18,19,22)