1-methyl-2-phenyl-benzene; 4-phenylsulfanyl-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene

Systemtic Name: 1-methyl-2-phenyl-benzene; 4-phenylsulfanyl-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene Openeye Name: 1-methyl-2-phenyl-benzene; 4-phenylsulfanyl-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene CAS Name: 1-methyl-2-phenylbenzene; 4-(phenylthio)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene IUPAC Name: 1-methyl-2-phenylbenzene; 4-phenylsulfanyl-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene Traditional Name: 1-methyl-2-phenyl-benzene; 4-(phenylthio)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene Formula: C25H20S2 MolecularWeight: 384.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2.C1=CC=C(C=C1)SC2=CC3=C(S3)C=C2

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2.C1=CC=C(C=C1)SC2=CC3=C(S3)C=C2

InChI

InChI=1S/C13H12.C12H8S2/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-2-4-9(5-3-1)13-10-6-7-11-12(8-10)14-11/h2-10H,1H3;1-8H