3-[4-cyclopropyl-3-[(1R)-1-phenylethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-cyclopropyl-3-[(1R)-1-phenylethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[(1R)-1-phenylethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[[(1R)-1-phenylethyl]thio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(1R)-1-phenylethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[[(1R)-1-phenylethyl]thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C[C@H](C1=CC=CC=C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H20N4S/c1-14(15-7-3-2-4-8-15)26-21-24-23-20(25(21)16-11-12-16)18-13-22-19-10-6-5-9-17(18)19/h2-10,13-14,16,23H,11-12H2,1H3/t14-/m1/s1