1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C13H17N5O2S/c19-11(16-7-3-1-2-4-8-16)10-17-13(20)18(15-14-17)12-6-5-9-21-12/h5-6,9H,1-4,7-8,10H2