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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-N-(4-nitrophenyl)butanamide CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-N-(4-nitrophenyl)butanamide Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-N-(4-nitrophenyl)butyramide Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O3S/c1-17-12(14-15-16-17)22-8-2-3-11(19)13-9-4-6-10(7-5-9)18(20)21/h4-7H,2-3,8H2,1H3,(H,13,19)