1-[(E)-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzylidene]amino]thiourea Formula: C18H22BrN5OS MolecularWeight: 436.36918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=S)NCC=C)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=S)NCC=C)OC)C)Br

InChI

InChI=1S/C18H22BrN5OS/c1-5-8-20-18(26)22-21-10-14-6-7-16(25-4)15(9-14)11-24-13(3)17(19)12(2)23-24/h5-7,9-10H,1,8,11H2,2-4H3,(H2,20,22,26)/b21-10+