3-[5-butylsulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: 3-[5-butylsulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 3-[5-butylsulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 3-[5-(butylthio)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[5-butylsulfanyl-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 3-[5-(butylthio)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-p-anisyl-propionamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CCCOC)CCC(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCSC1=NN=C(N1CCCOC)CCC(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H32N4O3S/c1-4-5-15-29-21-24-23-19(25(21)13-6-14-27-2)11-12-20(26)22-16-17-7-9-18(28-3)10-8-17/h7-10H,4-6,11-16H2,1-3H3,(H,22,26)