N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]naphthalene-2-carboxamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]naphthalene-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)naphthalene-2-carboxamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-naphthalenecarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)naphthalene-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-naphthamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c1-15-22-23-21(27-14-16-7-3-2-4-8-16)25(15)24-20(26)19-12-11-17-9-5-6-10-18(17)13-19/h2-13H,14H2,1H3,(H,24,26)