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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2CC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NN=C(N2CC=C)C)C

InChI

InChI=1S/C18H24N4O3S/c1-7-9-22-13(6)20-21-18(22)26-12(5)16(23)15-10(3)14(11(4)19-15)17(24)25-8-2/h7,12,19H,1,8-9H2,2-6H3