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

Systemtic Name: 3-cyclohexyl-1-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-urea Openeye Name: 3-cyclohexyl-1-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-urea CAS Name: 3-cyclohexyl-1-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea IUPAC Name: 3-cyclohexyl-1-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-phenylurea Traditional Name: 3-cyclohexyl-1-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-urea Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(C2=CC=CC=C2)C3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)N(C2=CC=CC=C2)C3=NN=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c27-20(22-16-9-3-1-4-10-16)25(17-11-5-2-6-12-17)21-24-23-19(30-21)15-8-7-13-18(14-15)26(28)29/h2,5-8,11-14,16H,1,3-4,9-10H2,(H,22,27)