1-(2-methyl-5-phenyl-pent-2-en-3-yl)sulfanyl-4-nitro-benzene

Systemtic Name: 1-(2-methyl-5-phenyl-pent-2-en-3-yl)sulfanyl-4-nitro-benzene Openeye Name: 1-(2-methyl-1-phenethyl-prop-1-enyl)sulfanyl-4-nitro-benzene CAS Name: 1-[(2-methyl-5-phenylpent-2-en-3-yl)thio]-4-nitrobenzene IUPAC Name: 1-(2-methyl-5-phenylpent-2-en-3-yl)sulfanyl-4-nitrobenzene Traditional Name: 1-[(2-methyl-1-phenethyl-prop-1-enyl)thio]-4-nitro-benzene Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CCC1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=C(CCC1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H19NO2S/c1-14(2)18(13-8-15-6-4-3-5-7-15)22-17-11-9-16(10-12-17)19(20)21/h3-7,9-12H,8,13H2,1-2H3