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

Systemtic Name: 3-methylsulfanyl-4-[(E)-(4-nitrophenyl)methylideneamino]-6-propan-2-yl-1,2,4-triazin-5-one Openeye Name: 6-isopropyl-3-methylsulfanyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1,2,4-triazin-5-one CAS Name: 3-(methylthio)-4-[(E)-(4-nitrophenyl)methylideneamino]-6-propan-2-yl-1,2,4-triazin-5-one IUPAC Name: 3-methylsulfanyl-4-[(E)-(4-nitrophenyl)methylideneamino]-6-propan-2-yl-1,2,4-triazin-5-one Traditional Name: 6-isopropyl-3-(methylthio)-4-[(E)-(4-nitrobenzylidene)amino]-1,2,4-triazin-5-one Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3S/c1-9(2)12-13(20)18(14(23-3)17-16-12)15-8-10-4-6-11(7-5-10)19(21)22/h4-9H,1-3H3/b15-8+