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

Systemtic Name: butyl 4-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-1-phenyl-2,5-dihydropyrrole-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-3-4-10-25-16(24)14-11-23(13-8-6-5-7-9-13)12-15(14)19-17-20-18(26-2)22-21-17/h5-9H,3-4,10-12H2,1-2H3,(H2,19,20,21,22)