methyl 4-[[5-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-allyl-5-(2-amino-4-methyl-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-amino-4-methyl-5-thiazolyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-5-(2-amino-4-methyl-thiazol-5-yl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)N)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H19N5O2S2/c1-4-9-23-15(14-11(2)20-17(19)27-14)21-22-18(23)26-10-12-5-7-13(8-6-12)16(24)25-3/h4-8H,1,9-10H2,2-3H3,(H2,19,20)