N-[[4-methyl-5-[(3E)-3-(4-methylsulfanylbenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]ethanamine

Systemtic Name: N-[[4-methyl-5-[(3E)-3-(4-methylsulfanylbenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]ethanamine Openeye Name: N-[[4-methyl-5-[(3E)-3-(4-methylsulfanylbenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-3-pyridyl]methyl]ethanamine CAS Name: N-[[4-methyl-5-[(3E)-3-[4-(methylthio)-2-benzimidazolylidene]-1,2-dihydroindazol-5-yl]-3-pyridinyl]methyl]ethanamine IUPAC Name: N-[[4-methyl-5-[(3E)-3-(4-methylsulfanylbenzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]ethanamine Traditional Name: ethyl-[[4-methyl-5-[(3E)-3-[4-(methylthio)benzimidazol-2-ylidene]indazolin-5-yl]-3-pyridyl]methyl]amine Formula: C24H24N6S MolecularWeight: 428.55256

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C(=CN=C1)C2=CC3=C(C=C2)NNC3=C4N=C5C=CC=C(C5=N4)SC)C

Isomeric SMILES

CCNCC1=C(C(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\N=C5C=CC=C(C5=N4)SC)C

InChI

InChI=1S/C24H24N6S/c1-4-25-11-16-12-26-13-18(14(16)2)15-8-9-19-17(10-15)22(30-29-19)24-27-20-6-5-7-21(31-3)23(20)28-24/h5-10,12-13,25,29-30H,4,11H2,1-3H3/b24-22+