methyl 3-methyl-5-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-furan-2-carboxylate CAS Name: 3-methyl-5-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C)C(=O)OC

InChI

InChI=1S/C18H19N3O4S/c1-5-7-21-16(14-6-8-24-12(14)3)19-20-18(21)26-10-13-9-11(2)15(25-13)17(22)23-4/h5-6,8-9H,1,7,10H2,2-4H3