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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=N3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=N3

InChI

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