2-(5-methylfuran-2-yl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(5-methylfuran-2-yl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-isopropyl-2-(5-methyl-2-furyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(5-methyl-2-furanyl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(5-methylfuran-2-yl)-8-propan-2-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-isopropyl-2-(5-methyl-2-furyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC3=C(N2)C=C(C=C3)C(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC3=C(N2)C=C(C=C3)C(C)C)C4=CC=CS4

InChI

InChI=1S/C20H19N3OS/c1-12(2)14-7-8-15-16(11-14)22-19(17-9-6-13(3)24-17)23-20(21-15)18-5-4-10-25-18/h4-12H,1-3H3,(H,21,22,23)