5-(3,4-dimethylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-(3,4-dimethylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 5-(3,4-dimethylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 5-(3,4-dimethylphenyl)-4-[(4-nitrophenyl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 5-(3,4-dimethylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 5-(3,4-dimethylphenyl)-4-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidine Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O2S2/c1-13-3-6-16(9-14(13)2)18-11-28-21-19(18)20(22-12-23-21)27-10-15-4-7-17(8-5-15)24(25)26/h3-9,11-12H,10H2,1-2H3