propan-2-yl 5-[[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate

Systemtic Name: propan-2-yl 5-[[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate Openeye Name: isopropyl 5-[(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate CAS Name: 5-[[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methyl]-2-furancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylic acid isopropyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N4O3S/c1-12(2)24-16(23)15-9-8-14(25-15)10-22-17(19)20-21-18(22)26-11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,19,20)