methyl 5-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C(=O)OC

InChI

InChI=1S/C21H20N4O3S/c1-12-16(20(26)27-2)9-14(28-12)11-29-21-24-23-19(25(21)13-7-8-13)17-10-22-18-6-4-3-5-15(17)18/h3-6,9-10,13,23H,7-8,11H2,1-2H3