1-[(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea Openeye Name: [(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methyleneamino]thiourea CAS Name: [(E)-[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: [(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]thiourea Traditional Name: [(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methyleneamino]thiourea Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=NNC(=S)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)/C=N/NC(=S)N

InChI

InChI=1S/C14H15N5O2S/c1-9-7-11(8-16-17-14(15)22)10(2)18(9)12-3-5-13(6-4-12)19(20)21/h3-8H,1-2H3,(H3,15,17,22)/b16-8+