[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[7-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] ester IUPAC Name: [4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]amino]phenyl] ester Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C19H18N6O3S/c20-12-29-14-7-5-13(6-8-14)21-15-11-16(24-9-3-1-2-4-10-24)17-18(23-28-22-17)19(15)25(26)27/h5-8,11,21H,1-4,9-10H2