3,3-diethyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-oxidanylidene-N-(phenylmethyl)azetidine-1-carboxamide

Systemtic Name: 3,3-diethyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4-oxidanylidene-N-(phenylmethyl)azetidine-1-carboxamide Openeye Name: N-benzyl-3,3-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxo-azetidine-1-carboxamide CAS Name: 3,3-diethyl-2-[(1-methyl-5-tetrazolyl)thio]-4-oxo-N-(phenylmethyl)-1-azetidinecarboxamide IUPAC Name: N-benzyl-3,3-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidine-1-carboxamide Traditional Name: N-benzyl-3,3-diethyl-2-keto-4-[(1-methyltetrazol-5-yl)thio]azetidine-1-carboxamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)SC3=NN=NN3C)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)SC3=NN=NN3C)CC

InChI

InChI=1S/C17H22N6O2S/c1-4-17(5-2)13(24)23(14(17)26-16-19-20-21-22(16)3)15(25)18-11-12-9-7-6-8-10-12/h6-10,14H,4-5,11H2,1-3H3,(H,18,25)