3-azanyl-4-(1H-benzimidazol-2-yl)-2-phenyl-1H-pyrazole-5-thione

Systemtic Name: 3-azanyl-4-(1H-benzimidazol-2-yl)-2-phenyl-1H-pyrazole-5-thione Openeye Name: 3-amino-4-(1H-benzimidazol-2-yl)-2-phenyl-1H-pyrazole-5-thione CAS Name: 3-amino-4-(1H-benzimidazol-2-yl)-2-phenyl-1H-pyrazole-5-thione IUPAC Name: 3-amino-4-(1H-benzimidazol-2-yl)-2-phenyl-1H-pyrazole-5-thione Traditional Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-phenyl-3-pyrazoline-3-thione Formula: C16H13N5S MolecularWeight: 307.37292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=S)N2)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=S)N2)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C16H13N5S/c17-14-13(15-18-11-8-4-5-9-12(11)19-15)16(22)20-21(14)10-6-2-1-3-7-10/h1-9H,17H2,(H,18,19)(H,20,22)