methyl 3-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C18H20N4O3S/c1-3-9-22-16(12-7-8-12)20-21-18(22)26-11-15(23)19-14-6-4-5-13(10-14)17(24)25-2/h3-6,10,12H,1,7-9,11H2,2H3,(H,19,23)