2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-p-anisyl-propionamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C19H27N5O2S/c1-13(18(25)21-12-14-8-10-16(26-2)11-9-14)27-19-23-22-17(24(19)20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12,20H2,1-2H3,(H,21,25)