1-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea

Systemtic Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea Openeye Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea CAS Name: 1-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenylurea IUPAC Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea Traditional Name: 1-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-urea Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S2/c22-14(17-12-6-2-1-3-7-12)18-15-19-20-16(26-15)25-10-11-5-4-8-13(9-11)21(23)24/h1-9H,10H2,(H2,17,18,19,22)