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

Systemtic Name: N-cycloheptyl-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptyl-propanamide CAS Name: N-cycloheptyl-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylpropanamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-cycloheptyl-propionamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H30N4OS/c1-16(21(27)23-19-11-7-2-3-8-12-19)28-22-25-24-20(18-13-14-18)26(22)15-17-9-5-4-6-10-17/h4-6,9-10,16,18-19H,2-3,7-8,11-15H2,1H3,(H,23,27)