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

Systemtic Name: methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C17H20N5S2+ MolecularWeight: 358.5042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5S2/c1-3-8-21-16(15-5-4-7-18-10-15)19-22(17(21)23)13-20(2)11-14-6-9-24-12-14/h3-7,9-10,12H,1,8,11,13H2,2H3/p+1