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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C

InChI

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