2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N

Isomeric SMILES

CCSC1=NN=C(N1CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N

InChI

InChI=1S/C17H21N7O2S/c1-4-27-17-21-20-16(18)23(17)10-13(25)19-14-11(2)22(3)24(15(14)26)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H2,18,20)(H,19,25)