3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzoxazol-2-ylmethylthio)-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzoxazol-2-ylmethylthio)-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine Formula: C21H17N5OS MolecularWeight: 387.45758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H17N5OS/c22-26-19(12-15-8-5-7-14-6-1-2-9-16(14)15)24-25-21(26)28-13-20-23-17-10-3-4-11-18(17)27-20/h1-11H,12-13,22H2