(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

InChI

InChI=1S/C26H28N6OS/c1-18(25(33)31-15-13-30(14-16-31)19-7-3-2-4-8-19)34-26-29-28-24(32(26)20-11-12-20)22-17-27-23-10-6-5-9-21(22)23/h2-10,17-18,20,28H,11-16H2,1H3/t18-/m1/s1