N-[[5-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[5-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)C)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-13-5-4-6-15(9-13)20(29)23-11-18-25-26-21(27(18)3)30-12-19(28)24-16-8-7-14(2)17(22)10-16/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)