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

Systemtic Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-11(2)19-17(25)21-16(24)12(3)26-18-20-15(13-9-10-13)23(22-18)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,19,21,24,25)/t12-/m0/s1