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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-14(19(28)24-17-6-4-3-5-7-17)30-21-26-25-18(27(21)2)12-13-23-20(29)15-8-10-16(22)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,29)(H,24,28)