[2-hexylsulfanyl-4-(phenylmethyl)-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-hexylsulfanyl-4-(phenylmethyl)-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: (4-benzyl-2-hexylsulfanyl-6-isopropyl-3-pyridyl)-(2-thienyl)methanone CAS Name: [2-(hexylthio)-4-(phenylmethyl)-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: (4-benzyl-2-hexylsulfanyl-6-propan-2-ylpyridin-3-yl)-thiophen-2-ylmethanone Traditional Name: [4-benzyl-2-(hexylthio)-6-isopropyl-3-pyridyl]-(2-thienyl)methanone Formula: C26H31NOS2 MolecularWeight: 437.66044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=CC(=N1)C(C)C)CC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCCCSC1=C(C(=CC(=N1)C(C)C)CC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C26H31NOS2/c1-4-5-6-10-15-30-26-24(25(28)23-14-11-16-29-23)21(18-22(27-26)19(2)3)17-20-12-8-7-9-13-20/h7-9,11-14,16,18-19H,4-6,10,15,17H2,1-3H3