5-[5-butylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole

Systemtic Name: 5-[5-butylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole Openeye Name: 5-(4-benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole CAS Name: 5-[5-(butylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole IUPAC Name: 5-(4-benzyl-5-butylsulfanyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole Traditional Name: 5-[4-benzyl-5-(butylthio)-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4C)C

Isomeric SMILES

CCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4C)C

InChI

InChI=1S/C23H26N4S/c1-4-5-13-28-23-26-25-22(27(23)15-18-9-7-6-8-10-18)19-11-12-21-20(14-19)16(2)17(3)24-21/h6-12,14,24H,4-5,13,15H2,1-3H3