[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[[(4-methyl-3-nitro-benzoyl)amino]carbamothioyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[[(4-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoyl]ammonium Formula: C19H21N4O5S+ MolecularWeight: 417.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)[NH+]=C2CCC3=C(C=C(OC3C2)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)[NH+]=C2CCC3=C(C=C(OC3C2)O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-10-3-4-12(8-15(10)23(26)27)18(25)21-22-19(29)20-13-5-6-14-11(2)7-17(24)28-16(14)9-13/h3-4,7-8,16,24H,5-6,9H2,1-2H3,(H,21,25)(H,22,29)/p+1