1,4-bis[5-(4-methylthiophen-2-yl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1,4-bis[5-(4-methylthiophen-2-yl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(4-methyl-2-thienyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(4-methyl-2-thiophenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(4-methylthiophen-2-yl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(4-methyl-2-thienyl)-2-pyridyl]-1,4-diazepane Formula: C25H26N4S2 MolecularWeight: 446.63074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=CC(=CS5)C

Isomeric SMILES

CC1=CSC(=C1)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=CC(=CS5)C

InChI

InChI=1S/C25H26N4S2/c1-18-12-22(30-16-18)20-4-6-24(26-14-20)28-8-3-9-29(11-10-28)25-7-5-21(15-27-25)23-13-19(2)17-31-23/h4-7,12-17H,3,8-11H2,1-2H3