ethyl-(pyridin-4-ylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: ethyl-(pyridin-4-ylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium Formula: C16H18N3S2+ MolecularWeight: 316.46422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C16H17N3S2/c1-2-18(11-13-7-9-17-10-8-13)12-19-14-5-3-4-6-15(14)21-16(19)20/h3-10H,2,11-12H2,1H3/p+1