ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C19H18N4O3S3 MolecularWeight: 446.56622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2C)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4O3S3/c1-3-25-17(24)12-8-9-26-14(12)10-27-18-22-21-16(23(18)2)11-28-19-20-13-6-4-5-7-15(13)29-19/h4-9H,3,10-11H2,1-2H3