1-ethyl-3-[[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-ethyl-3-[[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea Openeye Name: 1-ethyl-3-[[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-ethyl-3-[[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: 1-ethyl-3-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea Traditional Name: 1-ethyl-3-[[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C16H19FN4S MolecularWeight: 318.412263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN4S/c1-4-18-16(22)20-19-10-13-8-11(2)21(12(13)3)15-7-5-6-14(17)9-15/h5-10H,4H2,1-3H3,(H2,18,20,22)