ethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C12H18N5S+ MolecularWeight: 264.36982

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CN2C(=S)N(C=N2)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CN2C(=S)N(C=N2)C

InChI

InChI=1S/C12H17N5S/c1-3-16(8-11-4-6-13-7-5-11)10-17-12(18)15(2)9-14-17/h4-7,9H,3,8,10H2,1-2H3/p+1