N-[(5-butylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide

Systemtic Name: N-[(5-butylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: N-[(5-butylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[5-(butylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(5-butylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[5-(butylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2CCCCC2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCSC1=NN=C(N1C2CCCCC2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O2S/c1-3-4-14-28-21-24-23-19(25(21)17-8-6-5-7-9-17)15-22-20(26)16-10-12-18(27-2)13-11-16/h10-13,17H,3-9,14-15H2,1-2H3,(H,22,26)