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

Systemtic Name: (4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: [4-phenyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(2-thenyl)ammonium Formula: C22H22N5S2+ MolecularWeight: 420.57358

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CS1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CC[NH+](CC1=CC=CS1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5S2/c1-2-13-25(16-20-11-7-14-29-20)17-26-22(28)27(19-9-4-3-5-10-19)21(24-26)18-8-6-12-23-15-18/h2-12,14-15H,1,13,16-17H2/p+1