N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanimidate

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanimidate Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(2-oxo-3-propyl-benzimidazol-1-yl)ethanimidate CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-2-(2-oxo-3-propyl-1-benzimidazolyl)ethanimidate IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)ethanimidate Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(2-keto-3-propyl-benzimidazol-1-yl)acetimidate Formula: C21H22N7O2S2- MolecularWeight: 468.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=NC3=NC(=C(S3)C4=NNC(=S)N4CC=C)C)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=NC3=NC(=C(S3)C4=NNC(=S)N4CC=C)C)[O-]

InChI

InChI=1S/C21H23N7O2S2/c1-4-10-26-14-8-6-7-9-15(14)28(21(26)30)12-16(29)23-19-22-13(3)17(32-19)18-24-25-20(31)27(18)11-5-2/h5-9H,2,4,10-12H2,1,3H3,(H,25,31)(H,22,23,29)/p-1