3-(3-azanyl-4-oxidanyl-1-phenyl-butyl)sulfanyl-5-methyl-thiophene-2-carbonitrile

Systemtic Name: 3-(3-azanyl-4-oxidanyl-1-phenyl-butyl)sulfanyl-5-methyl-thiophene-2-carbonitrile Openeye Name: 3-(3-amino-4-hydroxy-1-phenyl-butyl)sulfanyl-5-methyl-thiophene-2-carbonitrile CAS Name: 3-[(3-amino-4-hydroxy-1-phenylbutyl)thio]-5-methyl-2-thiophenecarbonitrile IUPAC Name: 3-(3-amino-4-hydroxy-1-phenylbutyl)sulfanyl-5-methylthiophene-2-carbonitrile Traditional Name: 3-[(3-amino-4-hydroxy-1-phenyl-butyl)thio]-5-methyl-thiophene-2-carbonitrile Formula: C16H18N2OS2 MolecularWeight: 318.45692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C#N)SC(CC(CO)N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(S1)C#N)SC(CC(CO)N)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2OS2/c1-11-7-15(16(9-17)20-11)21-14(8-13(18)10-19)12-5-3-2-4-6-12/h2-7,13-14,19H,8,10,18H2,1H3