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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: N-benzyl-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-3-26(15-17-8-5-4-6-9-17)21(28)16(2)29-22-25-24-20(27(22)19-11-12-19)18-10-7-13-23-14-18/h4-10,13-14,16,19H,3,11-12,15H2,1-2H3