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

Systemtic Name: [4-(3-chloranyl-2-methyl-phenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [4-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[[4-(3-chloro-2-methyl-phenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H23ClN5S+ MolecularWeight: 412.95882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)C[NH+](CC=C)CC=C)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN(C2=S)C[NH+](CC=C)CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H22ClN5S/c1-4-13-25(14-5-2)15-26-21(28)27(19-8-6-7-18(22)16(19)3)20(24-26)17-9-11-23-12-10-17/h4-12H,1-2,13-15H2,3H3/p+1