ethyl 5-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H23N7O3S MolecularWeight: 429.49602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)N3C(=NN=C3SC)N

InChI

InChI=1S/C19H23N7O3S/c1-4-14(25-18(20)23-24-19(25)30-3)16(27)22-15-13(17(28)29-5-2)11-21-26(15)12-9-7-6-8-10-12/h6-11,14H,4-5H2,1-3H3,(H2,20,23)(H,22,27)