1-[2-[(3-azanyl-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea

Systemtic Name: 1-[2-[(3-azanyl-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea Openeye Name: 1-[2-[(3-amino-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea CAS Name: 1-[2-[[3-amino-5-(methylthio)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(6-phenyl-3-pyridazinyl)urea IUPAC Name: 1-[2-[(3-amino-5-methylsulfanyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea Traditional Name: 1-[2-[[3-amino-5-(methylthio)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)urea Formula: C21H20N8OS MolecularWeight: 432.5015

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NN1CC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CSC1=NC(=NN1CC2=CC=CC=C2NC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C21H20N8OS/c1-31-21-25-19(22)28-29(21)13-15-9-5-6-10-16(15)23-20(30)24-18-12-11-17(26-27-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H2,22,28)(H2,23,24,27,30)