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

Systemtic Name: 2-chloranyl-N-[3-methyl-1-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]butyl]benzamide Openeye Name: N-[1-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-3-methyl-butyl]-2-chloro-benzamide CAS Name: N-[1-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-3-methylbutyl]-2-chlorobenzamide IUPAC Name: N-[1-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-3-methylbutyl]-2-chlorobenzamide Traditional Name: N-[1-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-3-methyl-butyl]-2-chloro-benzamide Formula: C25H28ClN5O2S MolecularWeight: 498.04012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H28ClN5O2S/c1-4-14-31-23(21(15-17(2)3)28-24(33)19-12-8-9-13-20(19)26)29-30-25(31)34-16-22(32)27-18-10-6-5-7-11-18/h4-13,17,21H,1,14-16H2,2-3H3,(H,27,32)(H,28,33)