6-methyl-3-methylsulfanyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-3-methylsulfanyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-methylsulfanyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2,4-triazin-5-one CAS Name: 6-methyl-3-(methylthio)-4-(triphenylphosphoranylideneamino)-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-methylsulfanyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2,4-triazin-5-one Traditional Name: 6-methyl-3-(methylthio)-4-(triphenylphosphoranylideneamino)-1,2,4-triazin-5-one Formula: C23H21N4OPS MolecularWeight: 432.477801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C23H21N4OPS/c1-18-22(28)27(23(30-2)25-24-18)26-29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1-2H3