3-[4-(2,5-dimethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-(2,5-dimethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-(2,5-dimethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-(2,5-dimethoxyphenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-(2,5-dimethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-(2,5-dimethoxyphenyl)-3-(propargylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC#C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC#C

InChI

InChI=1S/C21H18N4O2S/c1-4-11-28-21-24-23-20(16-13-22-17-8-6-5-7-15(16)17)25(21)18-12-14(26-2)9-10-19(18)27-3/h1,5-10,12-13,23H,11H2,2-3H3