1-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea

Systemtic Name: 1-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea Openeye Name: 1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea CAS Name: 1-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-3-(1,3-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)thiourea Formula: C13H19BrN6S MolecularWeight: 371.29916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=S)NC2=CN(N=C2C)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCNC(=S)NC2=CN(N=C2C)C)C)Br

InChI

InChI=1S/C13H19BrN6S/c1-8-11(7-19(4)17-8)16-13(21)15-5-6-20-10(3)12(14)9(2)18-20/h7H,5-6H2,1-4H3,(H2,15,16,21)