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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(phenylmethyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzyl-propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N,N-bis(phenylmethyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylpropanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N,N-dibenzyl-propionamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3=NN=C(N3N)C4CCCCC4

InChI

InChI=1S/C25H31N5OS/c1-19(32-25-28-27-23(30(25)26)22-15-9-4-10-16-22)24(31)29(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22H,4,9-10,15-18,26H2,1H3