cyclopentyl 2-[[4-azanyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclopentyl 2-[[4-azanyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclopentyl 2-[[4-amino-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[[4-amino-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclopentyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CSC2=NNC(=C3C=CC=CC3=O)N2N

Isomeric SMILES

C1CCC(C1)OC(=O)CSC2=NNC(=C3C=CC=CC3=O)N2N

InChI

InChI=1S/C15H18N4O3S/c16-19-14(11-7-3-4-8-12(11)20)17-18-15(19)23-9-13(21)22-10-5-1-2-6-10/h3-4,7-8,10,17H,1-2,5-6,9,16H2