N-[(4-tert-butylcyclohexylidene)amino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[(4-tert-butylcyclohexylidene)amino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-[(4-tert-butylcyclohexylidene)amino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-[(4-tert-butylcyclohexylidene)amino]-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-[(4-tert-butylcyclohexylidene)amino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-[(4-tert-butylcyclohexylidene)amino]-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)CC1

Isomeric SMILES

CC(C)(C)C1CCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C)CC1

InChI

InChI=1S/C21H29N5OS/c1-21(2,3)17-9-11-18(12-10-17)23-24-19(27)16-7-5-15(6-8-16)13-28-20-25-22-14-26(20)4/h5-8,14,17H,9-13H2,1-4H3,(H,24,27)