2-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-5H-1,4-thiazepine

Systemtic Name: 2-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-5H-1,4-thiazepine Openeye Name: 2-(4-chlorophenyl)-4-[4-(4-pyridyl)butyl]-5H-1,4-thiazepine CAS Name: 2-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-5H-1,4-thiazepine IUPAC Name: 2-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-5H-1,4-thiazepine Traditional Name: 2-(4-chlorophenyl)-4-[4-(4-pyridyl)butyl]-5H-1,4-thiazepine Formula: C20H21ClN2S MolecularWeight: 356.91214

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CSC(=CN1CCCCC2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C=CSC(=CN1CCCCC2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2S/c21-19-7-5-18(6-8-19)20-16-23(14-3-15-24-20)13-2-1-4-17-9-11-22-12-10-17/h3,5-12,15-16H,1-2,4,13-14H2