(3Z)-3-[4-cyclopropyl-3-(oxan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: (3Z)-3-[4-cyclopropyl-3-(oxan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (3Z)-3-[4-cyclopropyl-3-(tetrahydropyran-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: (3Z)-3-[4-cyclopropyl-3-(2-oxanylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (3Z)-3-[4-cyclopropyl-3-(oxan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: (3Z)-3-[4-cyclopropyl-3-(tetrahydropyran-2-ylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C1CCOC(C1)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5

InChI

InChI=1S/C19H22N4OS/c1-2-7-17-15(6-1)16(11-20-17)18-21-22-19(23(18)13-8-9-13)25-12-14-5-3-4-10-24-14/h1-2,6-7,11,13-14,21H,3-5,8-10,12H2/b18-16-