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

Systemtic Name: N-[3-[5-(2-cyano-4-nitro-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]phenyl]ethanamide Openeye Name: N-[3-[5-(2-cyano-4-nitro-phenyl)sulfanyltetrazol-1-yl]phenyl]acetamide CAS Name: N-[3-[5-[(2-cyano-4-nitrophenyl)thio]-1-tetrazolyl]phenyl]acetamide IUPAC Name: N-[3-[5-(2-cyano-4-nitrophenyl)sulfanyltetrazol-1-yl]phenyl]acetamide Traditional Name: N-[3-[5-[(2-cyano-4-nitro-phenyl)thio]tetrazol-1-yl]phenyl]acetamide Formula: C16H11N7O3S MolecularWeight: 381.36864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H11N7O3S/c1-10(24)18-12-3-2-4-13(8-12)22-16(19-20-21-22)27-15-6-5-14(23(25)26)7-11(15)9-17/h2-8H,1H3,(H,18,24)