hexadecyl N-[[3-(3-nitrophenyl)-1,2,4-thiadiazol-5-yl]amino]carbamate

Systemtic Name: hexadecyl N-[[3-(3-nitrophenyl)-1,2,4-thiadiazol-5-yl]amino]carbamate Openeye Name: hexadecyl N-[[3-(3-nitrophenyl)-1,2,4-thiadiazol-5-yl]amino]carbamate CAS Name: N-[[3-(3-nitrophenyl)-1,2,4-thiadiazol-5-yl]amino]carbamic acid hexadecyl ester IUPAC Name: hexadecyl N-[[3-(3-nitrophenyl)-1,2,4-thiadiazol-5-yl]amino]carbamate Traditional Name: N-[[3-(3-nitrophenyl)-1,2,4-thiadiazol-5-yl]amino]carbamic acid cetyl ester Formula: C25H39N5O4S MolecularWeight: 505.67326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H39N5O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-34-25(31)28-27-24-26-23(29-35-24)21-17-16-18-22(20-21)30(32)33/h16-18,20H,2-15,19H2,1H3,(H,28,31)(H,26,27,29)