N-[(4-methoxyphenyl)methyl]-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide Traditional Name: N-p-anisyl-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-19(20(26)22-13-15-9-11-17(27-2)12-10-15)28-21-23-14-18(24-25-21)16-7-5-4-6-8-16/h4-12,14,19H,3,13H2,1-2H3,(H,22,26)