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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[O-]

InChI

InChI=1S/C20H23N5OS2/c1-4-12-25-18(23-24-20(25)27)17-13(3)21-19(28-17)22-16(26)11-10-15-8-6-14(5-2)7-9-15/h4,6-9H,1,5,10-12H2,2-3H3,(H,24,27)(H,21,22,26)/p-1