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

Systemtic Name: 1-(4-nitrophenyl)-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1-(4-nitrophenyl)-3-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-15(17-12-6-8-13(9-7-12)21(23)24)18-16-20-19-14(25-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,20,22)