2-[[5-(2-methylfuran-3-yl)-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-[(2-methyl-3-indolylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-[(2-methylindol-3-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3S/c1-11-15(14-5-3-4-6-16(14)21-11)9-20-24-18(13-7-8-27-12(13)2)22-23-19(24)28-10-17(25)26/h3-9,20H,10H2,1-2H3,(H,25,26)