(2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanyl-butanoate

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanyl-butanoate Openeye Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-hydroxy-butanoate CAS Name: (2S)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-4-hydroxybutanoate IUPAC Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-hydroxybutanoate Traditional Name: (2S)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-4-hydroxy-butyrate Formula: C17H17N4O3S- MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(CCO)C(=O)[O-]

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2S[C@@H](CCO)C(=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c22-8-7-14(16(23)24)25-17-20-19-15(21(17)10-5-6-10)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10,14,19,22H,5-8H2,(H,23,24)/p-1/t14-/m0/s1