N-[(5-chloranyl-1-methyl-indol-2-yl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(5-chloranyl-1-methyl-indol-2-yl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(5-chloro-1-methyl-indol-2-yl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(5-chloro-1-methyl-2-indolyl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(5-chloro-1-methylindol-2-yl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(5-chloro-1-methyl-indol-2-yl)methyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(N3C)C=CC(=C4)Cl

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(N3C)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-14-24-25-21(27(14)17-6-4-3-5-7-17)29-13-20(28)23-12-18-11-15-10-16(22)8-9-19(15)26(18)2/h3-11H,12-13H2,1-2H3,(H,23,28)