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

Systemtic Name: N-cyclohexyl-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-propanamide CAS Name: N-cyclohexyl-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylpropanamide Traditional Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-propionamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NN=C1SC(C)C(=O)NC2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4OS/c1-15(2)25-19(14-17-10-6-4-7-11-17)23-24-21(25)27-16(3)20(26)22-18-12-8-5-9-13-18/h4,6-7,10-11,15-16,18H,5,8-9,12-14H2,1-3H3,(H,22,26)