[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]diazenyl] 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbodithioate

Systemtic Name: [[4-[bis(azanyl)methylideneamino]sulfonylphenyl]diazenyl] 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbodithioate Openeye Name: (4-guanidinosulfonylphenyl)azo 5-amino-3-methyl-1-phenyl-pyrazole-4-carbodithioate CAS Name: 5-amino-3-methyl-1-phenyl-4-pyrazolecarbodithioic acid [4-(diaminomethylideneamino)sulfonylphenyl]azo ester IUPAC Name: [[4-(diaminomethylideneamino)sulfonylphenyl]diazenyl] 5-amino-3-methyl-1-phenylpyrazole-4-carbodithioate Traditional Name: 5-amino-3-methyl-1-phenyl-pyrazole-4-carbodithioic acid (4-guanidinosulfonylphenyl)azo ester Formula: C18H18N8O2S3 MolecularWeight: 474.58292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N8O2S3/c1-11-15(16(19)26(23-11)13-5-3-2-4-6-13)17(29)30-25-22-12-7-9-14(10-8-12)31(27,28)24-18(20)21/h2-10H,19H2,1H3,(H4,20,21,24)