2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[2-(4-methoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CSC3=NN=NN3C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C19H25N5O2S/c1-26-16-10-6-14(7-11-16)17-5-3-2-4-12-23(17)18(25)13-27-19-20-21-22-24(19)15-8-9-15/h6-7,10-11,15,17H,2-5,8-9,12-13H2,1H3