(2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C18H25N5OS/c1-10(2)14-7-5-6-11(3)15(14)20-17(24)12(4)25-18-22-21-16(23(18)19)13-8-9-13/h5-7,10,12-13H,8-9,19H2,1-4H3,(H,20,24)/t12-/m0/s1