N-(phenylmethyl)-3-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-triazol-4-amine

Systemtic Name: N-(phenylmethyl)-3-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-triazol-4-amine Openeye Name: N-benzyl-3-[1-(2-thienylmethyl)azepan-4-yl]-1,2,4-triazol-4-amine CAS Name: N-(phenylmethyl)-3-[1-(thiophen-2-ylmethyl)-4-azepanyl]-1,2,4-triazol-4-amine IUPAC Name: N-benzyl-3-[1-(thiophen-2-ylmethyl)azepan-4-yl]-1,2,4-triazol-4-amine Traditional Name: benzyl-[3-[1-(2-thenyl)azepan-4-yl]-1,2,4-triazol-4-yl]amine Formula: C20H25N5S MolecularWeight: 367.511

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CS2)C3=NN=CN3NCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CS2)C3=NN=CN3NCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5S/c1-2-6-17(7-3-1)14-22-25-16-21-23-20(25)18-8-4-11-24(12-10-18)15-19-9-5-13-26-19/h1-3,5-7,9,13,16,18,22H,4,8,10-12,14-15H2