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

Systemtic Name: 1-ethyl-3-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea Openeye Name: 1-ethyl-3-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-ethyl-3-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: 1-ethyl-3-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea Traditional Name: 1-ethyl-3-[[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C17H21N5O3S MolecularWeight: 375.44534

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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)[N+](=O)[O-])OC)C

Isomeric SMILES

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=C(C=C(C=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C17H21N5O3S/c1-5-18-17(26)20-19-10-13-8-11(2)21(12(13)3)15-7-6-14(22(23)24)9-16(15)25-4/h6-10H,5H2,1-4H3,(H2,18,20,26)