1-[(E)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(4-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C14H13BrN6S MolecularWeight: 377.26222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=NNC(=S)N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2/C=N/NC(=S)N)CCC#N)Br

InChI

InChI=1S/C14H13BrN6S/c15-12-4-2-10(3-5-12)13-11(8-18-19-14(17)22)9-21(20-13)7-1-6-16/h2-5,8-9H,1,7H2,(H3,17,19,22)/b18-8+