methyl-(phenylmethyl)-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium CAS Name: methyl-(phenylmethyl)-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: benzyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-benzyl-methyl-ammonium Formula: C19H22N5S+ MolecularWeight: 352.47648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C19H21N5S/c1-3-12-23-18(17-10-7-11-20-13-17)21-24(19(23)25)15-22(2)14-16-8-5-4-6-9-16/h3-11,13H,1,12,14-15H2,2H3/p+1