2-[[5-[[(2-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[[5-[[(2-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[[5-[(2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-acetamide CAS Name: 2-[[5-[(2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[[5-[(2-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[5-(o-toluidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-thiazol-2-yl-acetamide Formula: C21H20N6OS2 MolecularWeight: 436.5531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CS4

Isomeric SMILES

CC1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC=CS4

InChI

InChI=1S/C21H20N6OS2/c1-15-7-5-6-10-17(15)23-13-18-25-26-21(27(18)16-8-3-2-4-9-16)30-14-19(28)24-20-22-11-12-29-20/h2-12,23H,13-14H2,1H3,(H,22,24,28)