4-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C18H24N6O2S/c1-11(17(26)21-14-9-7-12(8-10-14)15(19)25)27-18-23-22-16(24(18)20)13-5-3-2-4-6-13/h7-11,13H,2-6,20H2,1H3,(H2,19,25)(H,21,26)