1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-13-6-7-18(25-2)17(8-13)23-19(26)22-16-5-3-4-14(9-16)11-24-12-15(20)10-21-24/h3-10,12H,11H2,1-2H3,(H2,22,23,26)