N-(cyclopropylmethyl)-5-[4-(3-methoxyphenyl)-4-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-ium-3-yl]pentanamide

Systemtic Name: N-(cyclopropylmethyl)-5-[4-(3-methoxyphenyl)-4-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-ium-3-yl]pentanamide Openeye Name: N-(cyclopropylmethyl)-5-[4-(3-methoxyphenyl)-4-(m-tolylmethylsulfanyl)-1,2,4-triazol-4-ium-3-yl]pentanamide CAS Name: N-(cyclopropylmethyl)-5-[4-(3-methoxyphenyl)-4-[(3-methylphenyl)methylthio]-1,2,4-triazol-4-ium-3-yl]pentanamide IUPAC Name: N-(cyclopropylmethyl)-5-[4-(3-methoxyphenyl)-4-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-ium-3-yl]pentanamide Traditional Name: N-(cyclopropylmethyl)-5-[4-(3-methoxyphenyl)-4-[(3-methylbenzyl)thio]-1,2,4-triazol-4-ium-3-yl]valeramide Formula: C26H33N4O2S+ MolecularWeight: 465.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS[N+]2(C=NN=C2CCCCC(=O)NCC3CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CS[N+]2(C=NN=C2CCCCC(=O)NCC3CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H32N4O2S/c1-20-7-5-8-22(15-20)18-33-30(23-9-6-10-24(16-23)32-2)19-28-29-25(30)11-3-4-12-26(31)27-17-21-13-14-21/h5-10,15-16,19,21H,3-4,11-14,17-18H2,1-2H3/p+1