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

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O3S/c25-17(11-28-16-8-6-15(7-9-16)24(26)27)19-13-3-1-2-12(10-13)18-20-21-22-23(18)14-4-5-14/h1-3,6-10,14H,4-5,11H2,(H,19,25)