(2S)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2N)C

InChI

InChI=1S/C14H19N5OS/c1-4-11-5-7-12(8-6-11)16-13(20)9(2)21-14-18-17-10(3)19(14)15/h5-9H,4,15H2,1-3H3,(H,16,20)/t9-/m0/s1