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

Systemtic Name: N-(cyclooctylmethyl)-N-methyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(cyclooctylmethyl)-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(cyclooctylmethyl)-N-methyl-4-[(1-phenyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(cyclooctylmethyl)-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(cyclooctylmethyl)-N-methyl-4-[(1-phenyltetrazol-5-yl)thio]butyramide Formula: C21H31N5OS MolecularWeight: 401.56874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCCCC1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CN(CC1CCCCCCC1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H31N5OS/c1-25(17-18-11-6-3-2-4-7-12-18)20(27)15-10-16-28-21-22-23-24-26(21)19-13-8-5-9-14-19/h5,8-9,13-14,18H,2-4,6-7,10-12,15-17H2,1H3