N-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[3-(1-methyl-5-tetrazolyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C2=NN=NN2C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C2=NN=NN2C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3S/c1-11(27-15-8-6-14(7-9-15)23(25)26)17(24)18-13-5-3-4-12(10-13)16-19-20-21-22(16)2/h3-11H,1-2H3,(H,18,24)