1-[[5-(5-azanyl-1-phenyl-pyrazol-4-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(5-azanyl-1-phenyl-pyrazol-4-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(5-amino-1-phenyl-pyrazol-4-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(5-amino-1-phenyl-4-pyrazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(5-amino-1-phenylpyrazol-4-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(5-amino-1-phenyl-pyrazol-4-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C20H18N6OS/c1-14(27)13-28-20-24-23-19(25(20)15-8-4-2-5-9-15)17-12-22-26(18(17)21)16-10-6-3-7-11-16/h2-12H,13,21H2,1H3