2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C23H24N6OS2 MolecularWeight: 464.60626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C23H24N6OS2/c1-2-3-4-7-11-29-21(16-13-24-17-9-6-5-8-15(16)17)27-28-23(29)32-14-19-25-18-10-12-31-20(18)22(30)26-19/h5-6,8-10,12-13,27H,2-4,7,11,14H2,1H3,(H,25,26,30)