1-(1,3-benzodioxol-5-yl)-3-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[4-methyl-5-oxo-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[5-keto-4-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]urea Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CCNC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=O)CCNC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C17H17N5O4S/c1-21-15(14-3-2-8-27-14)20-22(17(21)24)7-6-18-16(23)19-11-4-5-12-13(9-11)26-10-25-12/h2-5,8-9H,6-7,10H2,1H3,(H2,18,19,23)