1-[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]phenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]phenyl]thiourea CAS Name: 1-[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methoxy]phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methoxy]phenyl]thiourea Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)NC(=S)NCC=C

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)NC(=S)NCC=C

InChI

InChI=1S/C21H21BrN4O2S/c1-3-13-23-21(29)24-15-9-11-17(12-10-15)28-14-18-19(22)20(27)26(25(18)2)16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H2,23,24,29)