[azanyl-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylthio]methylene]ammonium Formula: C17H16BrN4S+ MolecularWeight: 388.30474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)CSC(=[NH2+])N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)Br)CSC(=[NH2+])N

InChI

InChI=1S/C17H15BrN4S/c18-14-6-4-5-12(9-14)16-13(11-23-17(19)20)10-22(21-16)15-7-2-1-3-8-15/h1-10H,11H2,(H3,19,20)/p+1