1,3-benzothiazol-2-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-methyl-ammonium Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-15-12-19(26(24-15)16-8-4-3-5-9-16)23-20(27)13-25(2)14-21-22-17-10-6-7-11-18(17)28-21/h3-12H,13-14H2,1-2H3,(H,23,27)/p+1