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

Systemtic Name: 3-[4-cyclopropyl-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-(3-phenylpropylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-(3-phenylpropylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC5=CC=CC=C5

InChI

InChI=1S/C22H22N4S/c1-2-7-16(8-3-1)9-6-14-27-22-25-24-21(26(22)17-12-13-17)19-15-23-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17,24H,6,9,12-14H2