(3S)-3-phenyl-4-(3-pyrazin-2-yl-5-sulfanidyl-1,2,4-triazol-4-yl)butanoate

Systemtic Name: (3S)-3-phenyl-4-(3-pyrazin-2-yl-5-sulfanidyl-1,2,4-triazol-4-yl)butanoate Openeye Name: (3S)-3-phenyl-4-(3-pyrazin-2-yl-5-sulfido-1,2,4-triazol-4-yl)butanoate CAS Name: (3S)-3-phenyl-4-[3-(2-pyrazinyl)-5-sulfido-1,2,4-triazol-4-yl]butanoate IUPAC Name: (3S)-3-phenyl-4-(3-pyrazin-2-yl-5-sulfido-1,2,4-triazol-4-yl)butanoate Traditional Name: (3S)-3-phenyl-4-(3-pyrazin-2-yl-5-sulfido-1,2,4-triazol-4-yl)butyrate Formula: C16H13N5O2S-2 MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CN2C(=NN=C2[S-])C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CN2C(=NN=C2[S-])C3=NC=CN=C3

InChI

InChI=1S/C16H15N5O2S/c22-14(23)8-12(11-4-2-1-3-5-11)10-21-15(19-20-16(21)24)13-9-17-6-7-18-13/h1-7,9,12H,8,10H2,(H,20,24)(H,22,23)/p-2/t12-/m1/s1