1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]-3-methyl-thiourea

Systemtic Name: 1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]-3-methyl-thiourea Openeye Name: 1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]-3-methyl-thiourea CAS Name: 1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)-4-pyrazolyl]methylideneamino]-3-methylthiourea IUPAC Name: 1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methylideneamino]-3-methylthiourea Traditional Name: 1-[(E)-[3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazol-4-yl]methyleneamino]-3-methyl-thiourea Formula: C18H15BrN6O2S MolecularWeight: 459.3197

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN6O2S/c1-20-18(28)22-21-10-13-11-24(15-6-8-16(9-7-15)25(26)27)23-17(13)12-2-4-14(19)5-3-12/h2-11H,1H3,(H2,20,22,28)/b21-10+