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

Systemtic Name: 3-[4-(4-methoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-(4-methoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-(4-methoxyphenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-(4-methoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-(4-methoxyphenyl)-3-(propargylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4OS/c1-3-12-26-20-23-22-19(17-13-21-18-7-5-4-6-16(17)18)24(20)14-8-10-15(25-2)11-9-14/h1,4-11,13,22H,12H2,2H3