1-[[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea Formula: C16H18BrFN4S MolecularWeight: 397.308323

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C16H18BrFN4S/c1-4-19-16(23)21-20-9-12-7-10(2)22(11(12)3)15-6-5-13(17)8-14(15)18/h5-9H,4H2,1-3H3,(H2,19,21,23)