ethyl 5-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-[(3-chloro-4-methoxy-phenyl)methylamino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate CAS Name: 5-[(3-chloro-4-methoxyphenyl)methylamino]-3-(methylthio)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(3-chloro-4-methoxy-benzyl)amino]-3-(methylthio)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C15H17ClN4O3S MolecularWeight: 368.83848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)SC)NCC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)SC)NCC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C15H17ClN4O3S/c1-4-23-14(21)12-13(18-15(24-3)20-19-12)17-8-9-5-6-11(22-2)10(16)7-9/h5-7H,4,8H2,1-3H3,(H,17,18,20)