2-azanyl-N-[4-[2-(5-azanylidene-1,3-dimethyl-1,2,4-triazol-4-yl)ethanoyl]phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-azanyl-N-[4-[2-(5-azanylidene-1,3-dimethyl-1,2,4-triazol-4-yl)ethanoyl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-amino-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)acetyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-amino-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)-1-oxoethyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-amino-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)acetyl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-amino-N-[4-[2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)acetyl]phenyl]-5-nitro-benzenesulfonamide Formula: C18H19N7O5S MolecularWeight: 445.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)N1CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=NN(C(=N)N1CC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H19N7O5S/c1-11-21-23(2)18(20)24(11)10-16(26)12-3-5-13(6-4-12)22-31(29,30)17-9-14(25(27)28)7-8-15(17)19/h3-9,20,22H,10,19H2,1-2H3