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

Systemtic Name: (3Z)-3-[4-(4-ethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (3Z)-3-[4-(4-ethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: (3Z)-3-[4-(4-ethoxyphenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (3Z)-3-[4-(4-ethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: (3Z)-3-[4-p-phenetyl-3-(propargylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC#C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC#C

InChI

InChI=1S/C21H18N4OS/c1-3-13-27-21-24-23-20(18-14-22-19-8-6-5-7-17(18)19)25(21)15-9-11-16(12-10-15)26-4-2/h1,5-12,14,23H,4,13H2,2H3/b20-18-