methyl 2,4-dimethyl-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-5-11-25-19(15-9-7-6-8-10-15)23-24-21(25)29-12-16(26)18-13(2)17(14(3)22-18)20(27)28-4/h5-10,22H,1,11-12H2,2-4H3