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

Systemtic Name: 1-(3-methoxyphenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3-methoxyphenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl]urea Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-26-14-4-2-3-12(10-14)18-16(23)19-17-21-20-15(27-17)9-11-5-7-13(8-6-11)22(24)25/h2-8,10H,9H2,1H3,(H2,18,19,21,23)