1-[[1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[[1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea Openeye Name: [[1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]pyrrol-2-yl]methyleneamino]thiourea CAS Name: [[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-pyrrolyl]methylideneamino]thiourea IUPAC Name: [[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea Traditional Name: [[1-(4,5-dimethoxy-2-nitro-benzyl)pyrrol-2-yl]methyleneamino]thiourea Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=CC=C2C=NNC(=S)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=CC=C2C=NNC(=S)N)[N+](=O)[O-])OC

InChI

InChI=1S/C15H17N5O4S/c1-23-13-6-10(12(20(21)22)7-14(13)24-2)9-19-5-3-4-11(19)8-17-18-15(16)25/h3-8H,9H2,1-2H3,(H3,16,18,25)