2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C17H19N7O2S/c18-24-16(14-10-13(19-20-14)12-4-2-1-3-5-12)21-22-17(24)27-11-15(25)23-6-8-26-9-7-23/h1-5,10H,6-9,11,18H2,(H,19,20)