5-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

Systemtic Name: 5-[4-[4-(azanylidenemethylidene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Openeye Name: 5-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one CAS Name: 5-[4-[4-(iminomethylidene)-1-piperazin-4-iumyl]-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one IUPAC Name: 5-[4-[4-(iminomethylidene)piperazin-4-ium-1-yl]-3-nitrophenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Traditional Name: 5-[4-[4-(iminomethylene)piperazin-4-ium-1-yl]-3-nitro-phenyl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one Formula: C15H17N6O3S+ MolecularWeight: 361.39888

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NNC(=O)S1)C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)[N+](=O)[O-]

Isomeric SMILES

CC1C(=NNC(=O)S1)C2=CC(=C(C=C2)N3CC[N+](=C=N)CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O3S/c1-10-14(17-18-15(22)25-10)11-2-3-12(13(8-11)21(23)24)20-6-4-19(9-16)5-7-20/h2-3,8,10,16H,4-7H2,1H3/p+1