2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3N)CC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=C(N3N)CC(C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-14(16-8-4-3-5-9-16)12-20-25-26-22(27(20)23)29-13-19(28)21-15(2)24-18-11-7-6-10-17(18)21/h3-11,14,24H,12-13,23H2,1-2H3