1-(3,4-dimethylphenyl)-3-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]urea Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)N3CCCC3)C

InChI

InChI=1S/C17H21N5O2S2/c1-11-5-6-13(9-12(11)2)18-15(24)19-16-20-21-17(26-16)25-10-14(23)22-7-3-4-8-22/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,18,19,20,24)