2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)heptanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)heptanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)heptanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-7-methoxy-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)heptanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-N-[(2-methoxyphenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)heptanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-7-methoxy-N-o-anisyl-N-(1H-1,2,4-triazol-5-yl)enanthamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCC(C(=O)N(CC1=CC=CC=C1OC)C2=NC=NN2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

COCCCCCC(C(=O)N(CC1=CC=CC=C1OC)C2=NC=NN2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H31ClN4O3S/c1-32-14-7-3-4-13-23(34-17-19-9-8-11-21(26)15-19)24(31)30(25-27-18-28-29-25)16-20-10-5-6-12-22(20)33-2/h5-6,8-12,15,18,23H,3-4,7,13-14,16-17H2,1-2H3,(H,27,28,29)