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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(1-methyltetrazol-5-yl)sulfanyl-butanamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(1-methyltetrazol-5-yl)thio]butyramide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=NN2C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=NN2C

InChI

InChI=1S/C13H17N5OS/c1-3-11(20-13-15-16-17-18(13)2)12(19)14-9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,14,19)