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

Systemtic Name: [2-hexylsulfanyl-4-(phenylmethyl)-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; methanamine Openeye Name: (4-benzyl-2-hexylsulfanyl-6-isopropyl-3-pyridyl)-(2-thienyl)methanone; methanamine CAS Name: [2-(hexylthio)-4-(phenylmethyl)-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; methanamine IUPAC Name: (4-benzyl-2-hexylsulfanyl-6-propan-2-ylpyridin-3-yl)-thiophen-2-ylmethanone; methanamine Traditional Name: [4-benzyl-2-(hexylthio)-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; methylamine Formula: C27H36N2OS2 MolecularWeight: 468.71754

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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.CN

Isomeric SMILES

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

InChI

InChI=1S/C26H31NOS2.CH5N/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;1-2/h7-9,11-14,16,18-19H,4-6,10,15,17H2,1-3H3;2H2,1H3