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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c1-11-4-2-3-5-14(11)18-16(23)19-17-21-20-15(26-17)10-12-6-8-13(9-7-12)22(24)25/h2-9H,10H2,1H3,(H2,18,19,21,23)