ethyl 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: ethyl 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate CAS Name: 4-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate Traditional Name: 4-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-1-phenyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CN(C1)C2=CC=CC=C2)NC3=NC(=NN3)SC

Isomeric SMILES

CCOC(=O)C1=C(CN(C1)C2=CC=CC=C2)NC3=NC(=NN3)SC

InChI

InChI=1S/C16H19N5O2S/c1-3-23-14(22)12-9-21(11-7-5-4-6-8-11)10-13(12)17-15-18-16(24-2)20-19-15/h4-8H,3,9-10H2,1-2H3,(H2,17,18,19,20)