propan-2-yl 2-chloranyl-5-[3-cyano-4-methylsulfanyl-2,6-bis(oxidanylidene)-1,3,5-triazin-1-yl]benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-[3-cyano-4-methylsulfanyl-2,6-bis(oxidanylidene)-1,3,5-triazin-1-yl]benzoate Openeye Name: isopropyl 2-chloro-5-(3-cyano-4-methylsulfanyl-2,6-dioxo-1,3,5-triazin-1-yl)benzoate CAS Name: 2-chloro-5-[3-cyano-4-(methylthio)-2,6-dioxo-1,3,5-triazin-1-yl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-(3-cyano-4-methylsulfanyl-2,6-dioxo-1,3,5-triazin-1-yl)benzoate Traditional Name: 2-chloro-5-[3-cyano-2,6-diketo-4-(methylthio)-s-triazin-1-yl]benzoic acid isopropyl ester Formula: C15H13ClN4O4S MolecularWeight: 380.80612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)N=C(N(C2=O)C#N)SC)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)N=C(N(C2=O)C#N)SC)Cl

InChI

InChI=1S/C15H13ClN4O4S/c1-8(2)24-12(21)10-6-9(4-5-11(10)16)20-13(22)18-14(25-3)19(7-17)15(20)23/h4-6,8H,1-3H3