ethyl 2-[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[[4-allyl-5-(4-aminophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-(4-aminophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(4-aminophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C20H22N6O3S2/c1-4-10-26-17(13-6-8-14(21)9-7-13)24-25-20(26)30-11-15(27)23-19-22-12(3)16(31-19)18(28)29-5-2/h4,6-9H,1,5,10-11,21H2,2-3H3,(H,22,23,27)