2-[[4-(indol-3-ylidenemethylamino)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(indol-3-ylidenemethylamino)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(indol-3-ylidenemethylamino)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-indolylidenemethylamino)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(indol-3-ylidenemethylamino)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(indol-3-ylidenemethylamino)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C18H14N5O3S- MolecularWeight: 380.40046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2NC=C3C=NC4=CC=CC=C43)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2NC=C3C=NC4=CC=CC=C43)SCC(=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-11-13(6-7-26-11)17-21-22-18(27-10-16(24)25)23(17)20-9-12-8-19-15-5-3-2-4-14(12)15/h2-9,20H,10H2,1H3,(H,24,25)/p-1