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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N5O3S/c1-10-3-6-13(9-11(10)2)18-16(23)19-17-21-20-15(26-17)12-4-7-14(8-5-12)22(24)25/h3-9H,1-2H3,(H2,18,19,21,23)