[5-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [5-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [5-(1,3-benzoxazol-2-ylthio)-3-methyl-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [5-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [5-(1,3-benzoxazol-2-ylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4OS/c1-12-14(11-19)17(22(21-12)13-7-3-2-4-8-13)24-18-20-15-9-5-6-10-16(15)23-18/h2-10H,11,19H2,1H3/p+1