5-[(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]thio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(1R)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C21H22N5O3S- MolecularWeight: 424.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-2-22-19(28)23-18(27)17(16-11-7-4-8-12-16)30-21-25-24-20(29)26(21)14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,24,29)(H2,22,23,27,28)/p-1/t17-/m1/s1