2-[2-oxidanylidene-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-oxidanylidene-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]thio]nicotinate Formula: C17H13N4O3S2- MolecularWeight: 385.44012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C17H14N4O3S2/c22-13(10-25-15-12(16(23)24)7-4-8-18-15)19-17-21-20-14(26-17)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,23,24)(H,19,21,22)/p-1