4-tert-butyl-N-[3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]benzamide CAS Name: 4-tert-butyl-N-[3-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(1-cyclohexyltetrazol-5-yl)thio]propanoyl]benzamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C21H29N5O2S/c1-21(2,3)16-11-9-15(10-12-16)19(28)22-18(27)13-14-29-20-23-24-25-26(20)17-7-5-4-6-8-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,27,28)