N-(1,3-benzothiazol-2-ylmethyl)-5-(2-methoxynaphthalen-1-yl)-1,2,4-triazin-3-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2-methoxynaphthalen-1-yl)-1,2,4-triazin-3-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2-methoxy-1-naphthyl)-1,2,4-triazin-3-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2-methoxy-1-naphthalenyl)-1,2,4-triazin-3-amine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(2-methoxynaphthalen-1-yl)-1,2,4-triazin-3-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[5-(2-methoxy-1-naphthyl)-1,2,4-triazin-3-yl]amine Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C3=CN=NC(=N3)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C3=CN=NC(=N3)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N5OS/c1-28-18-11-10-14-6-2-3-7-15(14)21(18)17-12-24-27-22(26-17)23-13-20-25-16-8-4-5-9-19(16)29-20/h2-12H,13H2,1H3,(H,23,26,27)