1-azanyl-1-phenyl-ethanethiol; 2-methyl-4-(1-phenyl-1-sulfanyl-ethyl)benzaldehyde

Systemtic Name: 1-azanyl-1-phenyl-ethanethiol; 2-methyl-4-(1-phenyl-1-sulfanyl-ethyl)benzaldehyde Openeye Name: 1-amino-1-phenyl-ethanethiol; 2-methyl-4-(1-phenyl-1-sulfanyl-ethyl)benzaldehyde CAS Name: 1-amino-1-phenylethanethiol; 4-(1-mercapto-1-phenylethyl)-2-methylbenzaldehyde IUPAC Name: 1-amino-1-phenylethanethiol; 2-methyl-4-(1-phenyl-1-sulfanylethyl)benzaldehyde Traditional Name: 1-amino-1-phenyl-ethanethiol; 4-(1-mercapto-1-phenyl-ethyl)-2-methyl-benzaldehyde Formula: C24H27NOS2 MolecularWeight: 409.60728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C2=CC=CC=C2)S)C=O.CC(C1=CC=CC=C1)(N)S

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C2=CC=CC=C2)S)C=O.CC(C1=CC=CC=C1)(N)S

InChI

InChI=1S/C16H16OS.C8H11NS/c1-12-10-15(9-8-13(12)11-17)16(2,18)14-6-4-3-5-7-14;1-8(9,10)7-5-3-2-4-6-7/h3-11,18H,1-2H3;2-6,10H,9H2,1H3