4-[2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[2-[(4-bromophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[2-[[(4-bromophenyl)thio]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]-1,2,4-triazole-3-carbonitrile Formula: C18H13BrN6S2 MolecularWeight: 457.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3C=NN=C3C#N)CSC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3C=NN=C3C#N)CSC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C18H13BrN6S2/c1-10-11(2)27-18-16(10)17(25-9-21-24-15(25)7-20)22-14(23-18)8-26-13-5-3-12(19)4-6-13/h3-6,9H,8H2,1-2H3