5-(azepan-1-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]oxazole-4-carbonitrile Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H20N4O2S2/c22-13-16-20(24-10-6-1-2-7-11-24)27-18(23-16)12-17-19(26)25(21(28)29-17)14-15-8-4-3-5-9-15/h3-5,8-9,12H,1-2,6-7,10-11,14H2