methyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OC

InChI

InChI=1S/C18H20N6O3S2/c1-11-14(15(26)27-2)29-17(20-11)21-13(25)10-24-16(19)22-23-18(24)28-9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H2,19,22)(H,20,21,25)