4-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-3-methylsulfanyl-6-propan-2-yl-1,2,4-triazin-5-one

Systemtic Name: 4-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-3-methylsulfanyl-6-propan-2-yl-1,2,4-triazin-5-one Openeye Name: 4-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]-6-isopropyl-3-methylsulfanyl-1,2,4-triazin-5-one CAS Name: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(methylthio)-6-propan-2-yl-1,2,4-triazin-5-one IUPAC Name: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-methylsulfanyl-6-propan-2-yl-1,2,4-triazin-5-one Traditional Name: 4-[(E)-(2-chloro-5-nitro-benzylidene)amino]-6-isopropyl-3-(methylthio)-1,2,4-triazin-5-one Formula: C14H14ClN5O3S MolecularWeight: 367.81066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N(C1=O)N=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC

Isomeric SMILES

CC(C)C1=NN=C(N(C1=O)/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SC

InChI

InChI=1S/C14H14ClN5O3S/c1-8(2)12-13(21)19(14(24-3)18-17-12)16-7-9-6-10(20(22)23)4-5-11(9)15/h4-8H,1-3H3/b16-7+