4-butyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate

Systemtic Name: 4-butyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-butyl-benzenecarboximidate CAS Name: 4-butyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzenecarboximidate IUPAC Name: 4-butyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzenecarboximidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-butyl-benzenecarboximidate Formula: C20H22N5OS2- MolecularWeight: 412.55158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-]

InChI

InChI=1S/C20H23N5OS2/c1-4-6-7-14-8-10-15(11-9-14)18(26)22-19-21-13(3)16(28-19)17-23-24-20(27)25(17)12-5-2/h5,8-11H,2,4,6-7,12H2,1,3H3,(H,24,27)(H,21,22,26)/p-1